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332053-91-5 | N-(2-Bromo-4-methyl-phenyl)-2-morpholin-4-yl-acetamide
CAS No: 332053-91-5 Catalog No: AG01F83C MDL No:
Product Description
Catalog Number:
AG01F83C
Chemical Name:
N-(2-Bromo-4-methyl-phenyl)-2-morpholin-4-yl-acetamide
CAS Number:
332053-91-5
Molecular Formula:
C13H17BrN2O2
Molecular Weight:
313.1903
IUPAC Name:
N-(2-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide
InChI:
InChI=1S/C13H17BrN2O2/c1-10-2-3-12(11(14)8-10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9H2,1H3,(H,15,17)
InChI Key:
PMSVRKZIDVXHAH-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1Br)C)CN1CCOCC1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.195g/mol
Monoisotopic Mass:
312.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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